(3R,5R)-3-methyl-N-(1-methylpiperidin-4-yl)-5-[8-(trifluoromethoxy)quinolin-5-yl]piperidine-1-carboxamide

C23H29F3N4O2 — CID 134237261

IUPAC(3R,5R)-3-methyl-N-(1-methylpiperidin-4-yl)-5-[8-(trifluoromethoxy)quinolin-5-yl]piperidine-1-carboxamide
SMILESC[C@@H]1C[C@H](c2ccc(OC(F)(F)F)c3ncccc23)CN(C(=O)NC2CCN(C)CC2)C1
InChIInChI=1S/C23H29F3N4O2/c1-15-12-16(14-30(13-15)22(31)28-17-7-10-29(2)11-8-17)18-5-6-20(32-23(24,25)26)21-19(18)4-3-9-27-21/h3-6,9,15-17H,7-8,10-14H2,1-2H3,(H,28,31)/t15-,16+/m1/s1
InChIKeyIQJDQNDSMIXNPX-CVEARBPZSA-N
MW450.51 g/mol
LogP4.36
Rot. Bonds3

About (3R,5R)-3-methyl-N-(1-methylpiperidin-4-yl)-5-[8-(trifluoromethoxy)quinolin-5-yl]piperidine-1-carboxamide

(3R,5R)-3-methyl-N-(1-methylpiperidin-4-yl)-5-[8-(trifluoromethoxy)quinolin-5-yl]piperidine-1-carboxamide (PubChem CID 134237261) has the molecular formula C23H29F3N4O2 and a molecular weight of 450.51 g/mol. Its IUPAC name is (3R,5R)-3-methyl-N-(1-methylpiperidin-4-yl)-5-[8-(trifluoromethoxy)quinolin-5-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R,5R)-3-methyl-N-(1-methylpiperidin-4-yl)-5-[8-(trifluoromethoxy)quinolin-5-yl]piperidine-1-carboxamide
PubChem CID134237261
Molecular FormulaC23H29F3N4O2
Molecular Weight450.51 g/mol
Exact Mass450.22
IUPAC Name(3R,5R)-3-methyl-N-(1-methylpiperidin-4-yl)-5-[8-(trifluoromethoxy)quinolin-5-yl]piperidine-1-carboxamide
SMILESC[C@@H]1C[C@H](c2ccc(OC(F)(F)F)c3ncccc23)CN(C(=O)NC2CCN(C)CC2)C1
InChIInChI=1S/C23H29F3N4O2/c1-15-12-16(14-30(13-15)22(31)28-17-7-10-29(2)11-8-17)18-5-6-20(32-23(24,25)26)21-19(18)4-3-9-27-21/h3-6,9,15-17H,7-8,10-14H2,1-2H3,(H,28,31)/t15-,16+/m1/s1
InChIKeyIQJDQNDSMIXNPX-CVEARBPZSA-N
XLogP4.36
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.51
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-3-methyl-N-(1-methylpiperidin-4-yl)-5-[8-(trifluoromethoxy)quinolin-5-yl]piperidine-1-carboxamide?
The IUPAC name of (3R,5R)-3-methyl-N-(1-methylpiperidin-4-yl)-5-[8-(trifluoromethoxy)quinolin-5-yl]piperidine-1-carboxamide (CID 134237261) is (3R,5R)-3-methyl-N-(1-methylpiperidin-4-yl)-5-[8-(trifluoromethoxy)quinolin-5-yl]piperidine-1-carboxamide.
What is the SMILES notation for (3R,5R)-3-methyl-N-(1-methylpiperidin-4-yl)-5-[8-(trifluoromethoxy)quinolin-5-yl]piperidine-1-carboxamide?
The canonical SMILES for (3R,5R)-3-methyl-N-(1-methylpiperidin-4-yl)-5-[8-(trifluoromethoxy)quinolin-5-yl]piperidine-1-carboxamide is C[C@@H]1C[C@H](c2ccc(OC(F)(F)F)c3ncccc23)CN(C(=O)NC2CCN(C)CC2)C1.
What is the InChIKey of (3R,5R)-3-methyl-N-(1-methylpiperidin-4-yl)-5-[8-(trifluoromethoxy)quinolin-5-yl]piperidine-1-carboxamide?
The InChIKey is IQJDQNDSMIXNPX-CVEARBPZSA-N. The full InChI is InChI=1S/C23H29F3N4O2/c1-15-12-16(14-30(13-15)22(31)28-17-7-10-29(2)11-8-17)18-5-6-20(32-23(24,25)26)21-19(18)4-3-9-27-21/h3-6,9,15-17H,7-8,10-14H2,1-2H3,(H,28,31)/t15-,16+/m1/s1.
What are the key properties of (3R,5R)-3-methyl-N-(1-methylpiperidin-4-yl)-5-[8-(trifluoromethoxy)quinolin-5-yl]piperidine-1-carboxamide?
(3R,5R)-3-methyl-N-(1-methylpiperidin-4-yl)-5-[8-(trifluoromethoxy)quinolin-5-yl]piperidine-1-carboxamide has a molecular weight of 450.51 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-3-methyl-N-(1-methylpiperidin-4-yl)-5-[8-(trifluoromethoxy)quinolin-5-yl]piperidine-1-carboxamide is sourced from PubChem (CID 134237261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).